ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate

C15H12F3N3O3 — CID 68937298

IUPACethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnccc1NC(=O)Cc1c(F)cc(F)cc1F
InChIInChI=1S/C15H12F3N3O3/c1-2-24-15(23)14-12(3-4-19-21-14)20-13(22)7-9-10(17)5-8(16)6-11(9)18/h3-6H,2,7H2,1H3,(H,19,20,22)
InChIKeyKBAUXRRVWNDYDO-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.25
Rot. Bonds5

About ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate

ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate (PubChem CID 68937298) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
PubChem CID68937298
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC Nameethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnccc1NC(=O)Cc1c(F)cc(F)cc1F
InChIInChI=1S/C15H12F3N3O3/c1-2-24-15(23)14-12(3-4-19-21-14)20-13(22)7-9-10(17)5-8(16)6-11(9)18/h3-6H,2,7H2,1H3,(H,19,20,22)
InChIKeyKBAUXRRVWNDYDO-UHFFFAOYSA-N
XLogP2.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate?
The IUPAC name of ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate (CID 68937298) is ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate is CCOC(=O)c1nnccc1NC(=O)Cc1c(F)cc(F)cc1F.
What is the InChIKey of ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate?
The InChIKey is KBAUXRRVWNDYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c1-2-24-15(23)14-12(3-4-19-21-14)20-13(22)7-9-10(17)5-8(16)6-11(9)18/h3-6H,2,7H2,1H3,(H,19,20,22).
What are the key properties of ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate?
ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate has a molecular weight of 339.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 68937298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).